UCSF

ZINC09353621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 32 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.26 9.82 -60.69 0 6 -1 79 434.512 7
Mid Mid (pH 6-8) 4.71 10.36 -14.37 1 6 0 76 435.52 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )